4-ethyl-N-(2-methoxyethoxy)thiadiazole-5-carboxamide

C8H13N3O3S — CID 79676778

IUPAC4-ethyl-N-(2-methoxyethoxy)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NOCCOC
InChIInChI=1S/C8H13N3O3S/c1-3-6-7(15-11-9-6)8(12)10-14-5-4-13-2/h3-5H2,1-2H3,(H,10,12)
InChIKeyWXGPJARIUDGVND-UHFFFAOYSA-N
MW231.28 g/mol
LogP0.41
Rot. Bonds6

About 4-ethyl-N-(2-methoxyethoxy)thiadiazole-5-carboxamide

4-ethyl-N-(2-methoxyethoxy)thiadiazole-5-carboxamide (PubChem CID 79676778) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is 4-ethyl-N-(2-methoxyethoxy)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2-methoxyethoxy)thiadiazole-5-carboxamide
PubChem CID79676778
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name4-ethyl-N-(2-methoxyethoxy)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NOCCOC
InChIInChI=1S/C8H13N3O3S/c1-3-6-7(15-11-9-6)8(12)10-14-5-4-13-2/h3-5H2,1-2H3,(H,10,12)
InChIKeyWXGPJARIUDGVND-UHFFFAOYSA-N
XLogP0.41
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-ethyl-N-(2-methoxyethoxy)thiadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-methoxyethoxy)thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(2-methoxyethoxy)thiadiazole-5-carboxamide (CID 79676778) is 4-ethyl-N-(2-methoxyethoxy)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2-methoxyethoxy)thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(2-methoxyethoxy)thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NOCCOC.
What is the InChIKey of 4-ethyl-N-(2-methoxyethoxy)thiadiazole-5-carboxamide?
The InChIKey is WXGPJARIUDGVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-3-6-7(15-11-9-6)8(12)10-14-5-4-13-2/h3-5H2,1-2H3,(H,10,12).
What are the key properties of 4-ethyl-N-(2-methoxyethoxy)thiadiazole-5-carboxamide?
4-ethyl-N-(2-methoxyethoxy)thiadiazole-5-carboxamide has a molecular weight of 231.28 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-methoxyethoxy)thiadiazole-5-carboxamide is sourced from PubChem (CID 79676778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).